Catalyst compositions and processes for the oligomerization of ethylene to 1-octene are described. The catalyst composition includes a triamino bisphospino (NPNPN) ligand system with specific phosphorous and nitrogen ligands. The terminal nitrogen atoms include linear alkyl hydrocarbons that differ in the number of carbon atoms by 3.

A catalyst system that may reduce polymeric fouling may include at least one titanate compound, at least one aluminum compound, and an antifouling agent. The antifouling agent may be chosen from one or more of a phosphonium or phosphonium salt; a sulfonate or a sulfonate salt; a sulfonium or sulfonium salt; an ester including a cyclic moiety; an anhydride; a polyether; and a long-chained amine-capped compound. The catalyst system may further include a non-polymeric ether compound.

Catalyst compositions are prepared by contacting a palladium source and 1,3,5,7-tetramethyl-6-(2,4-dimethoxyphenyl)-2,4,8-trioxa-6-phosphaadamantane and a methoxyocta-diene compound, in a primary aliphatic alcohol, under suitable conditions including a ratio of equivalents of palladium to equivalents of 1,3,5,7-tetramethyl-6-(2,4-dimethoxyphenyl)-2,4,8-trioxa-6-phosphaadamantane ranging from greater than 1:1 to 1:1.3. The result is a complex of palladium, a 1,3,5,7-tetramethyl-6-(2,4-dimethoxyphenyl)-2,4,8-trioxa-6-phosphaada-mantane ligand, and a ligand selected from a methoxyoctadiene ligand, an octadienyl ligand, or a protonated octadienyl. Such complexes may, in solution, exhibit surprising solubility and storage stability and are useful in the telomerization of butadiene, which is a step in the production of 1-octene.

Disclosed is a heteroatomic ligand-metal compound complex transition-state model which has been developed for activity, purity, and/or selectivity for selective ethylene oligomerizations, and density functional theory calculations for determining heteroatomic ligand-metal compound complex reactivity, product purity, and/or selectivity for ethylene trimerizations and/or tetramerizations. Using reaction ground states and transition states, and/or reaction ground states and transition states in combination with the energetic span model, this disclosure reveals that a chromium chromacycle mechanism, there are multiple ground states and multiple transition states, which can account for activity, purity, and/or selectivity for selective ethylene oligomerizations. Based on the reaction ground states and transition states, and/or reaction ground states and transition states in combination with the energetic span model, the methods disclosed herein can qualitatively and semi-quantitatively used to predict relative heteroatomic ligand-metal compound complex activity, purity, and/or selectivity and lead to a successful process for catalyst design and implementation, in which new ligands can be successfully identified and experimentally validated.

Described herein is a base oil synthesis via ionic catalyst oligomerization further utilizing a hydrophobic process for removing an ionic catalyst from a reaction mixture with a silica gel composition, specifically a reaction mixture comprising an oligomerization reaction to produce PAO utilizing an ionic catalyst wherein the ionic catalyst is removed post reaction.

The invention relates to oligomerization of olefins, such as ethylene, to higher olefins, such as a mixture of 1-hexene and 1-octene, using a catalyst system that comprises a) a source of chromium b) one or more activators and c) a phosphacycle-containing ligating compound. Additionally, the invention relates to a phosphacycle-containing ligating compound and a process for making said compound.

A catalyst system that may reduce polymeric fouling may include at least one titanate compound, at least one aluminum compound, and an antifouling agent. The antifouling agent may be chosen from one or more of a phosphonium or phosphonium salt; a sulfonate or a sulfonate salt; a sulfonium or sulfonium salt; an ester including a cyclic moiety; an anhydride; a polyether; and a long-chained amine-capped compound. The catalyst system may further include a non-polymeric ether compound.

Catalyst systems suitable for tetramerizing ethylene to form 1-octene may include a catalyst including a chromium compound coordinated with a ligand and a co-catalyst including an organoaluminum compound. The ligand may have a chemical structure: (R.sub.1)(R.sub.2)A-X—C(R.sub.3)(R.sub.4). A and C may be phosphorus. X may be B(R.sub.5), Si(R.sub.5).sub.2, N(R.sub.5), wherein R.sub.5 is an aryl group substituted with a halogen, halogenated alkyl or a silyl group, and wherein B, or N, or Si is bound to A and C. R.sub.1, R.sub.2, R.sub.3, and R.sub.4 may be independently chosen hydrocarbyl groups or heterohydrocarbyl groups.

A catalyst system that may reduce polymeric fouling may include at least one titanate compound, at least one aluminum compound, and an antifouling agent. The antifouling agent may be chosen from one or more of a phosphonium or phosphonium salt; a sulfonate or a sulfonate salt; a sulfonium or sulfonium salt; an ester including a cyclic moiety; an anhydride; a polyether; and a long-chained amine-capped compound. The catalyst system may further include a non-polymeric ether compound.

A catalyst system that may reduce polymeric fouling may include at least one titanate compound, at least one aluminum compound, and an antifouling agent. The antifouling agent may be chosen from one or more of a phosphonium or phosphonium salt; a sulfonate or a sulfonate salt; a sulfonium or sulfonium salt; an ester including a cyclic moiety; an anhydride; a polyether; and a long-chained amine-capped compound. The catalyst system may further include a non-polymeric ether compound.